Compound Detail
CHEMBL385458
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NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(CP(=O)(O)O)cc2)NC(=O)Cn2cc(nn2)CCCNC1=O
Basic Information
| ChEMBL ID | CHEMBL385458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEJIUKMBFQBJQM-VXKWHMMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
646.6
MW (Da)
-1.07
ALogP
9
HBA
7
HBD
247.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | Kd | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | Kd | = | 230.0 | nM | 6.64 | Binding affinity to Grb2-SH2 domain | 16908148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908148 | 10.1016/j.bmcl.2006.08.004 | Growth factor receptor-bound protein 2 | 1 |
Data from ChEMBL 36 via Core Engine